Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Acoustic and volumetric study of renewable oxygenated fuel additives at (298.15-323.15) K: Isomeric butanediols with ethylbutyrate

Bhavani, M. Durga, Satyaveni, S., Ratnakar, A.
J. Chem. Thermodyn. 2019, 136, 100-115
ABSTRACT
Today biofuels are emerging in an exponentially manner in order to replace the fossil fuels. Biofuels are composed of several organic compounds containing wide variety of functional groups. The interactions existing among these compounds play a significant role in the efficiency of the biofuels. In this paper, the authors presented the new findings related to interactions existing in ethylbutyrate and alpha, w-alkanediols in pure state as well as in their mixtures. Densities and speeds of sound at various temperatures (298.15-323.15) K and at ambient pressure 0.1 MPa have been measured for these mixtures. From experimental data, the excess properties such as excess molar volume, VmE, excess isentropic compressibility, kappasE, excess molar isentropic compressibility, Ks,mE, excess speed of sound, uE, and excess isobaric thermal expansion, alphapE, of the investigated mixtures were calculated. All the excess parameter values were fitted using the Redlich-Kister polynomial smoothing equation. The results were analysed in terms of molecular interactions. The partial molar volumes, V-m,1 and V-m,2, partial molar isentropic compressibilities, K-s,m,1 and K-s,m,2, excess partial molar volumes, V-m,1E and V-m,2E and excess partial molar isentropic compressibilities, K-s,m,1E and K-s,m,2E over whole composition range; the excess partial molar quantities of the components at infinite dilution have been calculated. The variations of these parameters with change in composition and temperature have been discussed in terms of intermolecular interactions prevailing in these mixtures. The VmE values for these mixtures were also calculated by using Prigogine-Flory-Patterson (PFP) theory and the results were compared with experimental findings.
Compounds
# Formula Name
1 C6H12O2 ethyl butanoate
2 C4H10O2 1,2-butanediol
3 C4H10O2 1,3-butanediol
4 C4H10O2 1,4-butanediol
Datasets
The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type Compound-# Property Variable Constraint Phase Method #Points
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 6
  • POMD
  • 1
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Single path-length method
  • 6
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 6
  • POMD
  • 2
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Single path-length method
  • 6
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 6
  • POMD
  • 3
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Single path-length method
  • 6
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 6
  • POMD
  • 4
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Single path-length method
  • 6
  • POMD
  • 1
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 66
  • POMD
  • 1
  • 2
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Single path-length method
  • 66
  • POMD
  • 1
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 66
  • POMD
  • 1
  • 3
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Single path-length method
  • 66
  • POMD
  • 1
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 66
  • POMD
  • 1
  • 4
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Single path-length method
  • 66